4-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine

C22H19FN4O — CID 654240

IUPAC4-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESFc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCOCC4)n3n2)cc1
InChIInChI=1S/C22H19FN4O/c23-18-8-6-17(7-9-18)20-14-21-24-19(16-4-2-1-3-5-16)15-22(27(21)25-20)26-10-12-28-13-11-26/h1-9,14-15H,10-13H2
InChIKeyOIHQWUKPJWZTQS-UHFFFAOYSA-N
MW374.42 g/mol
LogP4.04
Rot. Bonds3

About 4-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine

4-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 654240) has the molecular formula C22H19FN4O and a molecular weight of 374.42 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID654240
Molecular FormulaC22H19FN4O
Molecular Weight374.42 g/mol
Exact Mass374.15
IUPAC Name4-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESFc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCOCC4)n3n2)cc1
InChIInChI=1S/C22H19FN4O/c23-18-8-6-17(7-9-18)20-14-21-24-19(16-4-2-1-3-5-16)15-22(27(21)25-20)26-10-12-28-13-11-26/h1-9,14-15H,10-13H2
InChIKeyOIHQWUKPJWZTQS-UHFFFAOYSA-N
XLogP4.04
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 654240) is 4-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is Fc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCOCC4)n3n2)cc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is OIHQWUKPJWZTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O/c23-18-8-6-17(7-9-18)20-14-21-24-19(16-4-2-1-3-5-16)15-22(27(21)25-20)26-10-12-28-13-11-26/h1-9,14-15H,10-13H2.
What are the key properties of 4-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
4-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 374.42 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 654240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).